330944 <common-name>2-[6-methyl-5-(3,4,5-trimethoxybenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid</common-name> <description>2-[6-methyl-5-(3,4,5-trimethoxybenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid is a chemical compound with the formula C22H21NO8. It has an average molecular weight of 427.40 g/mol.</description> <cas>50332-06-4</cas> <pubchem-id>39616</pubchem-id> <chemical-formula>C22H21NO8</chemical-formula> <weight>427.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T11:38:50Z</created-at> <updated-at type="dateTime">2026-08-30T11:38:50Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OCO3)CC(=O)O</moldb-smiles> <moldb-formula>C22H21NO8</moldb-formula> <moldb-inchi>InChI=1S/C22H21NO8/c1-11-13(8-20(24)25)14-7-16-17(31-10-30-16)9-15(14)23(11)22(26)12-5-18(27-2)21(29-4)19(6-12)28-3/h5-7,9H,8,10H2,1-4H3,(H,24,25)</moldb-inchi> <moldb-inchikey>WLTPXYFSXYGATR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">427.1267166</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM326837</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[6-methyl-5-(3,4,5-trimethoxybenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Benzoylindoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281486</sync-id> <structure-inchikey>WLTPXYFSXYGATR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000800000000000000040000000000000000000000000400000002000000000040400000100000004000000000800600000000000000000000000000000000000000000000000000020800000000100000800002000000000000000010000000040002000100000000020020100000000000000000000000000000040000000000000000000080000000000000000000400000000000000200000000000000004040000084000000000000000000000000000008000000080000000000000010000000040000000000000000000002000400000020000000080000000000000010040000800400400000000000020000000000004002010</structure-fingerprint> 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